CID 45050

2-acetoxy-3-phenylbenzamide

Structural Information

Molecular Formula
C15H13NO3
SMILES
CC(=O)OC1=C(C=CC=C1C(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C15H13NO3/c1-10(17)19-14-12(11-6-3-2-4-7-11)8-5-9-13(14)15(16)18/h2-9H,1H3,(H2,16,18)
InChIKey
JTVVOOSCIQPAQH-UHFFFAOYSA-N
Compound name
(2-carbamoyl-6-phenylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 156.8
[M+Na]+ 278.07876 163.8
[M-H]- 254.08226 163.4
[M+NH4]+ 273.12336 172.9
[M+K]+ 294.05270 161.0
[M+H-H2O]+ 238.08680 149.1
[M+HCOO]- 300.08774 180.3
[M+CH3COO]- 314.10339 197.3
[M+Na-2H]- 276.06421 159.8
[M]+ 255.08899 156.9
[M]- 255.09009 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.